N-benzyl-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide

C19H14ClN3O3S2 — CID 53126844

IUPACN-benzyl-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1cc(-c2nc(-c3ccc(Cl)cc3)no2)cs1
InChIInChI=1S/C19H14ClN3O3S2/c20-16-8-6-14(7-9-16)18-22-19(26-23-18)15-10-17(27-12-15)28(24,25)21-11-13-4-2-1-3-5-13/h1-10,12,21H,11H2
InChIKeyBABKVBNVNLNHAJ-UHFFFAOYSA-N
MW431.93 g/mol
LogP4.60
Rot. Bonds6

About N-benzyl-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide

N-benzyl-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide (PubChem CID 53126844) has the molecular formula C19H14ClN3O3S2 and a molecular weight of 431.93 g/mol. Its IUPAC name is N-benzyl-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-benzyl-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide
PubChem CID53126844
Molecular FormulaC19H14ClN3O3S2
Molecular Weight431.93 g/mol
Exact Mass431.02
IUPAC NameN-benzyl-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1cc(-c2nc(-c3ccc(Cl)cc3)no2)cs1
InChIInChI=1S/C19H14ClN3O3S2/c20-16-8-6-14(7-9-16)18-22-19(26-23-18)15-10-17(27-12-15)28(24,25)21-11-13-4-2-1-3-5-13/h1-10,12,21H,11H2
InChIKeyBABKVBNVNLNHAJ-UHFFFAOYSA-N
XLogP4.60
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.93
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide
CID 53126834
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide
CID 53126848
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylthiophene-2-sulfonamide
CID 53126847
4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 53126909
N-benzyl-4-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 50839010
3-(3-chlorophenyl)-5-(5-methylsulfonylthiophen-3-yl)-1,2,4-oxadiazole
CID 99705057
N-benzyl-2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide
CID 50821805
4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
CID 46380257
N-[(4-chlorophenyl)methyl]-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide
CID 53131046
5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methyl-N-(thiophen-2-ylmethyl)thiophene-3-sulfonamide
CID 50821694
N-[(4-methylphenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 46397233
4-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide
CID 46380290

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide?
The IUPAC name of N-benzyl-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide (CID 53126844) is N-benzyl-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-benzyl-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-benzyl-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide is O=S(=O)(NCc1ccccc1)c1cc(-c2nc(-c3ccc(Cl)cc3)no2)cs1.
What is the InChIKey of N-benzyl-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide?
The InChIKey is BABKVBNVNLNHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O3S2/c20-16-8-6-14(7-9-16)18-22-19(26-23-18)15-10-17(27-12-15)28(24,25)21-11-13-4-2-1-3-5-13/h1-10,12,21H,11H2.
What are the key properties of N-benzyl-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide?
N-benzyl-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide has a molecular weight of 431.93 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 53126844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).